1-amino-3-(5-methylhexan-2-yl)thiourea

C8H19N3S — CID 63925911

IUPAC1-amino-3-(5-methylhexan-2-yl)thiourea
SMILESCC(C)CCC(C)NC(=S)NN
InChIInChI=1S/C8H19N3S/c1-6(2)4-5-7(3)10-8(12)11-9/h6-7H,4-5,9H2,1-3H3,(H2,10,11,12)
InChIKeyIZXICHADELHMNL-UHFFFAOYSA-N
MW189.33 g/mol
LogP1.15
Rot. Bonds4

About 1-amino-3-(5-methylhexan-2-yl)thiourea

1-amino-3-(5-methylhexan-2-yl)thiourea (PubChem CID 63925911) has the molecular formula C8H19N3S and a molecular weight of 189.33 g/mol. Its IUPAC name is 1-amino-3-(5-methylhexan-2-yl)thiourea.

Molecular Properties

Compound Name1-amino-3-(5-methylhexan-2-yl)thiourea
PubChem CID63925911
Molecular FormulaC8H19N3S
Molecular Weight189.33 g/mol
Exact Mass189.13
IUPAC Name1-amino-3-(5-methylhexan-2-yl)thiourea
SMILESCC(C)CCC(C)NC(=S)NN
InChIInChI=1S/C8H19N3S/c1-6(2)4-5-7(3)10-8(12)11-9/h6-7H,4-5,9H2,1-3H3,(H2,10,11,12)
InChIKeyIZXICHADELHMNL-UHFFFAOYSA-N
XLogP1.15
TPSA50.08 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.33
LogP ≤ 51.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-amino-3-(5-methylhexan-2-yl)thiourea?
The IUPAC name of 1-amino-3-(5-methylhexan-2-yl)thiourea (CID 63925911) is 1-amino-3-(5-methylhexan-2-yl)thiourea.
What is the SMILES notation for 1-amino-3-(5-methylhexan-2-yl)thiourea?
The canonical SMILES for 1-amino-3-(5-methylhexan-2-yl)thiourea is CC(C)CCC(C)NC(=S)NN.
What is the InChIKey of 1-amino-3-(5-methylhexan-2-yl)thiourea?
The InChIKey is IZXICHADELHMNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19N3S/c1-6(2)4-5-7(3)10-8(12)11-9/h6-7H,4-5,9H2,1-3H3,(H2,10,11,12).
What are the key properties of 1-amino-3-(5-methylhexan-2-yl)thiourea?
1-amino-3-(5-methylhexan-2-yl)thiourea has a molecular weight of 189.33 g/mol, XLogP of 1.15, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-(5-methylhexan-2-yl)thiourea is sourced from PubChem (CID 63925911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).